General Information of the Compound
| Compound ID |
CP0543014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[6-(2-phenoxyphenyl)hexyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H63N8O12P
|
||||||||||||||||||
| Molecular Weight |
927.006
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H63N8O12P/c1-28(2)23-34(48-44(59)37-19-14-22-52(37)30(4)54)41(56)47-35(42(57)49-36(26-53)43(58)50-39(40(45)55)29(3)64-65(60,61)62)24-32-25-46-27-51(32)21-13-6-5-8-15-31-16-11-12-20-38(31)63-33-17-9-7-10-18-33/h7,9-12,16-18,20,25,27-29,34-37,39,53H,5-6,8,13-15,19,21-24,26H2,1-4H3,(H2,45,55)(H,47,56)(H,48,59)(H,49,57)(H,50,58)(H2,60,61,62)/t29-,34+,35+,36+,37+,39+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBUBVQOQXYMYMF-KJHGNAGRSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound